2-Cyclobutylisonicotinonitrile

CAT: 0127-OR1037367-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1037367-01Size:100 mg

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CAS Number

2102408-52-4

MDL Number

MFCD31555412

Purity

98%

Smiles

N#CC1=CC(C2CCC2)=NC=C1

Chemical Information

2-Cyclobutylisonicotinonitrile

CAS Number	2102408-52-4
PubChem CID	138109944
IUPAC Name	2-cyclobutylpyridine-4-carbonitrile
Molecular Formula	C10H10N2
Molecular Weight	158.20
XLogP	1.5
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	199

SMILES

C1CC(C1)C2=NC=CC(=C2)C#N

InChI

InChI=1S/C10H10N2/c11-7-8-4-5-12-10(6-8)9-2-1-3-9/h4-6,9H,1-3H2

InChIKey

GTXAQOQDWPLOBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2102408-52-4

CID: 138109944

Formula: C10H10N2

MW: 158.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.20
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	158.084398327
Monoisotopic Mass	158.084398327
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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